| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: (2S)-N-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]methyl]butan-2-amine (2S)-N-[[5-(2-thienyl)-1H-1,2,4-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.16 | 5.57 | -33.94 | 3 | 4 | 1 | 58 | 237.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 5.42 | -33.23 | 2 | 4 | 0 | 56 | 236.344 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
